#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k92 n THR 2 N 0.00 2.90 -0.02 0.44 -2.24 -1.26 -4.01 114.28 110.09 2k92 n THR 2 Ca 0.00 -1.84 -0.06 0.00 -2.27 0.00 0.00 64.05 59.89 2k92 n THR 2 Cb 0.00 -1.31 -0.02 0.00 -2.10 0.00 0.00 70.33 66.90 2k92 n THR 2 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k92 n ILE 3 N 0.18 0.52 -0.05 2.28 0.00 -1.26 -4.26 119.36 116.78 2k92 n ILE 3 Ca 0.35 0.01 -0.07 0.00 0.00 0.00 0.00 62.75 63.03 2k92 n ILE 3 Cb 0.59 -1.62 0.11 0.00 0.00 0.00 0.00 39.64 38.73 2k92 n ILE 3 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 176.55 177.60 2k92 h GLU 4 N -0.21 0.67 0.00 9.51 4.11 -1.94 0.95 114.58 127.67 2k92 h GLU 4 Ca -0.12 -0.28 -0.03 0.00 0.07 0.00 0.00 59.36 59.00 2k92 h GLU 4 Cb 0.95 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.17 2k92 h GLU 4 CO -0.07 0.87 -0.13 1.05 0.07 0.00 0.00 179.01 180.79 2k92 h GLU 5 N 0.57 0.00 0.03 1.06 4.11 -1.85 -3.14 114.58 115.37 2k92 h GLU 5 Ca 0.07 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.17 2k92 h GLU 5 Cb 0.76 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.97 2k92 h GLU 5 CO 0.06 0.13 -1.99 0.54 0.07 0.00 0.00 179.01 177.83 2k92 n ARG 6 N -3.20 0.68 -0.28 1.06 1.74 -0.92 -4.19 116.66 111.55 2k92 n ARG 6 Ca 0.02 0.22 0.09 0.00 -0.77 0.00 0.00 57.85 57.40 2k92 n ARG 6 Cb 0.46 -1.69 0.23 0.00 -1.02 0.00 0.00 32.46 30.44 2k92 n ARG 6 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2k92 h VAL 7 N 0.02 0.39 -0.96 1.55 2.07 0.99 0.82 116.25 121.13 2k92 h VAL 7 Ca -0.40 -0.07 0.26 0.00 0.82 0.00 0.00 66.70 67.30 2k92 h VAL 7 Cb 2.05 0.15 -0.13 0.00 -1.52 0.00 0.00 31.29 31.84 2k92 h VAL 7 CO 0.06 0.04 0.49 0.11 0.02 0.00 0.00 177.57 178.28 2k92 h LYS 8 N 0.22 0.40 0.25 1.57 6.56 -1.72 0.27 116.57 124.11 2k92 h LYS 8 Ca 0.48 -0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 60.04 2k92 h LYS 8 Cb 0.91 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 32.48 2k92 h LYS 8 CO -0.61 0.26 -0.12 -0.22 -2.06 0.00 0.00 179.45 176.71 2k92 h LYS 9 N 0.41 -0.32 -0.61 3.15 3.64 0.43 1.61 116.57 124.89 2k92 h LYS 9 Ca 0.63 0.02 0.12 0.00 -1.27 0.00 0.00 60.65 60.16 2k92 h LYS 9 Cb 1.29 0.07 -0.12 0.00 -0.41 0.00 0.00 32.23 33.07 2k92 h LYS 9 CO -0.55 -0.06 -0.18 0.82 -2.27 0.00 0.00 179.45 177.22 2k92 h ILE 10 N -0.56 0.36 -0.04 2.00 2.04 -0.03 1.59 117.51 122.86 2k92 h ILE 10 Ca -0.03 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.68 2k92 h ILE 10 Cb 0.41 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 2k92 h ILE 10 CO 0.06 0.00 -0.66 0.40 0.00 0.00 0.00 178.15 177.95 2k92 h ILE 11 N -0.03 1.43 0.00 -0.67 1.08 -0.65 1.29 117.51 119.97 2k92 h ILE 11 Ca 0.29 -2.15 -0.05 0.00 -0.39 0.00 0.00 64.86 62.56 2k92 h ILE 11 Cb 0.47 2.13 -0.01 0.00 -3.07 0.00 0.00 36.82 36.34 2k92 h ILE 11 CO -0.64 0.63 -0.22 1.23 -0.69 0.00 0.00 178.15 178.46 2k92 h GLY 12 N 1.67 0.00 0.00 5.37 0.00 0.70 -2.75 103.07 108.06 2k92 h GLY 12 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 2k92 h GLY 12 CO 0.10 0.00 -0.88 -1.06 0.00 0.00 0.00 176.54 174.70 2k92 n GLN 13 N -3.58 0.43 -0.18 4.80 1.13 0.50 0.79 117.38 121.27 2k92 n GLN 13 Ca -0.01 0.17 -0.06 0.00 -1.94 0.00 0.00 57.00 55.16 2k92 n GLN 13 Cb 0.37 -1.26 -0.05 0.00 0.11 0.00 0.00 30.24 29.40 2k92 n GLN 13 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 2k92 h GLN 14 N -0.82 -0.06 0.00 -1.09 1.08 0.15 0.67 115.11 115.05 2k92 h GLN 14 Ca -0.03 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.14 2k92 h GLN 14 Cb 0.85 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.29 2k92 h GLN 14 CO -0.02 -0.04 -0.19 -0.07 -0.95 0.00 0.00 178.83 177.56 2k92 h LEU 15 N -0.06 0.00 -2.51 1.46 3.38 -1.63 -3.45 115.31 112.50 2k92 h LEU 15 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2k92 h LEU 15 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2k92 h LEU 15 CO -0.44 0.19 0.00 0.61 0.09 0.00 0.00 178.44 178.89 2k92 n GLY 16 N -0.83 -0.21 3.26 0.83 0.00 0.23 -4.95 105.19 103.52 2k92 n GLY 16 Ca -0.02 -0.26 -0.15 0.00 0.00 0.00 0.00 46.02 45.59 2k92 n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k92 s VAL 17 N -2.29 0.22 0.97 1.61 1.01 0.24 -4.97 120.40 117.19 2k92 s VAL 17 Ca 0.00 -2.00 -0.15 0.00 0.00 0.00 0.00 61.98 59.83 2k92 s VAL 17 Cb 0.00 -2.55 0.19 0.00 0.00 0.00 0.00 36.38 34.02 2k92 s VAL 17 CO 0.00 0.00 1.22 -0.54 0.00 0.00 0.00 175.10 175.78 2k92 s LYS 18 N -4.04 0.58 -0.86 2.72 3.01 -1.26 -4.47 119.74 115.43 2k92 s LYS 18 Ca 0.38 -0.12 -0.02 0.00 -1.01 0.00 0.00 55.97 55.21 2k92 s LYS 18 Cb 0.07 -1.81 0.35 0.00 -1.01 0.00 0.00 37.83 35.42 2k92 s LYS 18 CO 0.14 -2.50 1.96 0.00 0.51 0.00 0.00 175.35 175.46 2k92 n GLN 19 N -3.89 3.14 0.01 1.68 0.00 -1.26 -3.96 117.38 113.10 2k92 n GLN 19 Ca 0.12 -3.72 0.00 0.00 0.00 0.00 0.00 57.00 53.40 2k92 n GLN 19 Cb 0.60 -2.30 0.00 0.00 0.00 0.00 0.00 30.24 28.54 2k92 n GLN 19 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2k92 n GLU 20 N -0.47 0.00 0.13 2.61 1.02 -1.26 -4.89 120.64 117.78 2k92 n GLU 20 Ca 0.52 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.65 2k92 n GLU 20 Cb 0.25 0.00 0.12 0.00 -0.02 0.00 0.00 31.44 31.79 2k92 n GLU 20 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2k92 h GLU 21 N 0.00 0.00 -5.42 3.49 4.39 -1.99 -3.39 114.58 111.67 2k92 h GLU 21 Ca 0.00 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.42 2k92 h GLU 21 Cb 0.00 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 2k92 h GLU 21 CO 0.00 0.66 0.91 0.08 -1.16 0.00 0.00 179.01 179.50 2k92 s VAL 22 N -3.37 3.46 0.00 3.13 1.01 -1.25 -4.86 120.40 118.51 2k92 s VAL 22 Ca -0.00 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.20 2k92 s VAL 22 Cb 0.12 -4.46 0.00 0.00 0.00 0.00 0.00 36.38 32.03 2k92 s VAL 22 CO 0.76 -0.85 0.00 0.35 0.00 0.00 0.00 175.10 175.37 2k92 n THR 23 N 8.00 0.00 -0.07 3.92 -2.24 -1.26 -4.92 114.28 117.70 2k92 n THR 23 Ca 0.44 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 62.00 2k92 n THR 23 Cb 0.47 -1.25 -0.12 0.00 -2.10 0.00 0.00 70.33 67.32 2k92 n THR 23 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2k92 n ASN 24 N 0.00 1.99 -2.79 3.42 0.23 -1.26 -4.31 115.26 112.54 2k92 n ASN 24 Ca 0.00 0.26 -0.37 0.00 -0.53 0.00 0.00 54.58 53.94 2k92 n ASN 24 Cb 0.00 -0.83 0.02 0.00 -2.08 0.00 0.00 39.78 36.89 2k92 n ASN 24 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2k92 n ASN 25 N -3.90 7.28 -4.39 0.53 2.85 -1.26 -2.04 115.26 114.33 2k92 n ASN 25 Ca -0.38 -3.68 -0.35 0.00 -0.11 0.00 0.00 54.58 50.06 2k92 n ASN 25 Cb 0.89 -1.11 -0.13 0.00 1.24 0.00 0.00 39.78 40.67 2k92 n ASN 25 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k92 s ALA 26 N -3.49 2.96 -1.11 5.20 0.00 -1.26 -5.02 121.76 119.04 2k92 s ALA 26 Ca 0.54 -1.09 -0.07 0.00 0.00 0.00 0.00 51.96 51.34 2k92 s ALA 26 Cb 0.43 -1.80 0.29 0.00 0.00 0.00 0.00 23.12 22.04 2k92 s ALA 26 CO -0.36 -0.33 1.29 0.43 0.00 0.00 0.00 175.76 176.79 2k92 n SER 27 N 4.61 5.90 -0.35 0.00 7.64 -1.26 -2.31 113.62 127.85 2k92 n SER 27 Ca -0.17 -3.20 0.32 0.00 1.01 0.00 0.00 58.87 56.83 2k92 n SER 27 Cb 0.51 -1.34 0.56 0.00 -1.01 0.00 0.00 64.21 62.94 2k92 n SER 27 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 2k92 n PHE 28 N 2.15 0.85 0.00 1.43 1.16 -1.26 -0.32 117.46 121.47 2k92 n PHE 28 Ca 0.25 0.85 0.00 0.00 -1.87 0.00 0.00 57.45 56.69 2k92 n PHE 28 Cb 0.37 -1.27 0.00 0.00 -1.61 0.00 0.00 39.48 36.96 2k92 n PHE 28 CO 0.00 0.00 0.00 1.33 -1.87 0.00 0.00 176.76 176.22 2k92 n VAL 29 N -4.77 0.00 -0.03 1.97 0.24 -1.26 0.17 118.33 114.65 2k92 n VAL 29 Ca 0.35 1.03 -0.05 0.00 -2.04 0.00 0.00 64.34 63.62 2k92 n VAL 29 Cb 1.27 -1.53 -0.05 0.00 -1.47 0.00 0.00 33.84 32.07 2k92 n VAL 29 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 2k92 h GLU 30 N 0.00 -0.06 -0.02 7.34 4.22 -1.64 -3.28 114.58 121.14 2k92 h GLU 30 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.45 2k92 h GLU 30 Cb 0.00 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 2k92 h GLU 30 CO 0.00 0.26 -0.01 -0.44 -2.18 0.00 0.00 179.01 176.64 2k92 h ASP 31 N -1.00 -0.03 0.00 1.04 5.19 -0.76 -3.41 116.42 117.45 2k92 h ASP 31 Ca -0.01 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2k92 h ASP 31 Cb 0.35 0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.87 2k92 h ASP 31 CO 0.01 -0.00 0.00 0.18 -3.12 0.00 0.00 179.24 176.31 2k92 n LEU 32 N -3.03 0.00 -2.83 1.55 4.77 0.47 -4.97 117.00 112.95 2k92 n LEU 32 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 2k92 n LEU 32 Cb 0.00 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 2k92 n LEU 32 CO -0.00 0.00 0.38 -0.83 -1.33 0.00 0.00 177.39 175.61 2k92 s GLY 33 N 0.00 -1.54 -0.18 -0.72 0.00 0.45 -4.78 107.32 100.55 2k92 s GLY 33 Ca 0.00 0.89 -0.05 0.00 0.00 0.00 0.00 44.72 45.55 2k92 s GLY 33 CO 0.00 4.16 3.34 0.00 0.00 0.00 0.00 173.10 180.60 2k92 n ALA 34 N 3.61 6.43 -1.88 3.20 0.00 -1.16 -4.39 120.51 126.31 2k92 n ALA 34 Ca 0.08 -2.26 -0.30 0.00 0.00 0.00 0.00 53.44 50.96 2k92 n ALA 34 Cb 0.62 -2.29 0.04 0.00 0.00 0.00 0.00 19.45 17.82 2k92 n ALA 34 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2k92 n ASP 35 N 2.00 6.12 0.00 0.00 9.92 -1.26 -4.54 116.55 128.79 2k92 n ASP 35 Ca 0.46 -3.77 0.00 0.00 -0.53 0.00 0.00 54.79 50.95 2k92 n ASP 35 Cb 0.79 -0.66 0.00 0.00 -0.64 0.00 0.00 41.12 40.60 2k92 n ASP 35 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 2k92 n SER 36 N -0.71 0.00 -2.23 -2.24 2.88 -1.26 -4.93 113.62 105.13 2k92 n SER 36 Ca 0.50 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 58.01 2k92 n SER 36 Cb 0.71 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 64.16 2k92 n SER 36 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k92 n LEU 37 N 0.00 -0.29 0.00 2.46 -0.00 -1.26 -4.74 117.00 113.18 2k92 n LEU 37 Ca 0.00 0.36 0.00 0.00 -0.00 0.00 0.00 56.01 56.37 2k92 n LEU 37 Cb 0.00 -1.22 0.00 0.00 -0.00 0.00 0.00 43.42 42.20 2k92 n LEU 37 CO 0.00 -0.06 0.14 -0.90 -0.00 0.00 0.00 177.39 176.57 2k92 n ASP 38 N -1.17 0.00 -0.04 1.45 5.75 -1.26 -3.38 116.55 117.90 2k92 n ASP 38 Ca -0.04 0.27 -0.15 0.00 -0.01 0.00 0.00 54.79 54.87 2k92 n ASP 38 Cb 0.45 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.41 2k92 n ASP 38 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 2k92 h THR 39 N 0.00 1.68 0.00 2.12 2.02 -1.87 -2.66 112.91 114.20 2k92 h THR 39 Ca 0.00 -2.18 0.00 0.00 0.77 0.00 0.00 66.41 65.00 2k92 h THR 39 Cb 0.00 3.14 0.00 0.00 -1.74 0.00 0.00 68.15 69.55 2k92 h THR 39 CO 0.00 0.58 0.00 0.52 0.37 0.00 0.00 175.52 176.99 2k92 n VAL 40 N -4.56 0.00 0.00 3.16 0.31 -1.26 0.37 118.33 116.35 2k92 n VAL 40 Ca -0.10 1.42 -0.10 0.00 -0.01 0.00 0.00 64.34 65.54 2k92 n VAL 40 Cb 0.50 -1.93 -0.04 0.00 -0.91 0.00 0.00 33.84 31.46 2k92 n VAL 40 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2k92 h GLU 41 N 0.00 -0.34 -0.95 5.55 4.81 -1.72 -0.54 114.58 121.39 2k92 h GLU 41 Ca 0.00 0.02 0.29 0.00 -0.13 0.00 0.00 59.36 59.54 2k92 h GLU 41 Cb 0.00 0.08 -0.18 0.00 0.63 0.00 0.00 28.75 29.28 2k92 h GLU 41 CO 0.00 -0.23 0.11 -0.11 -0.73 0.00 0.00 179.01 178.05 2k92 n LEU 42 N -5.39 -0.03 -0.03 1.64 0.00 -0.54 0.14 117.00 112.79 2k92 n LEU 42 Ca -0.03 1.61 -0.08 0.00 0.00 0.00 0.00 56.01 57.51 2k92 n LEU 42 Cb 0.31 -0.62 -0.05 0.00 0.00 0.00 0.00 43.42 43.05 2k92 n LEU 42 CO 0.17 -1.66 0.50 0.58 0.00 0.00 0.00 177.39 176.98 2k92 h VAL 43 N 0.00 0.00 -0.59 1.96 2.07 0.16 1.06 116.25 120.92 2k92 h VAL 43 Ca 0.62 0.00 0.10 0.00 0.82 0.00 0.00 66.70 68.23 2k92 h VAL 43 Cb 1.36 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 31.02 2k92 h VAL 43 CO -0.86 0.00 -0.39 0.24 0.02 0.00 0.00 177.57 176.58 2k92 h MET 44 N -0.27 -0.19 0.11 1.57 2.86 -0.28 1.78 114.93 120.51 2k92 h MET 44 Ca 0.03 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2k92 h MET 44 Cb 0.34 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 2k92 h MET 44 CO -0.26 -0.13 -0.11 0.00 1.06 0.00 0.00 176.91 177.47 2k92 h ALA 45 N 0.79 -0.84 -0.31 6.32 0.00 -0.60 1.45 119.26 126.07 2k92 h ALA 45 Ca 0.20 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.16 2k92 h ALA 45 Cb 0.56 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2k92 h ALA 45 CO -0.69 -0.85 0.57 -0.07 0.00 0.00 0.00 179.25 178.21 2k92 h LEU 46 N -0.22 0.00 0.01 0.00 3.38 0.16 0.34 115.31 118.98 2k92 h LEU 46 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2k92 h LEU 46 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2k92 h LEU 46 CO -0.01 0.00 -0.01 -0.33 0.09 0.00 0.00 178.44 178.18 2k92 h GLU 47 N 0.00 -0.02 -0.58 1.13 4.39 0.45 -3.32 114.58 116.63 2k92 h GLU 47 Ca 0.15 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.86 2k92 h GLU 47 Cb 1.28 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.91 2k92 h GLU 47 CO -0.00 0.66 0.39 0.93 -1.16 0.00 0.00 179.01 179.83 2k92 h GLU 48 N -0.97 0.73 -0.04 2.33 4.39 0.49 0.29 114.58 121.80 2k92 h GLU 48 Ca -0.00 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.67 2k92 h GLU 48 Cb 0.69 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.17 2k92 h GLU 48 CO 0.00 0.49 0.38 1.49 -1.16 0.00 0.00 179.01 180.21 2k92 h GLU 49 N 0.76 0.00 0.00 2.33 4.57 -0.59 -3.42 114.58 118.22 2k92 h GLU 49 Ca 0.22 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.40 2k92 h GLU 49 Cb -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.55 2k92 h GLU 49 CO -0.05 0.00 0.00 1.19 -1.18 0.00 0.00 179.01 178.97 2k92 n PHE 50 N -2.94 0.00 0.00 0.92 3.72 -0.09 -5.10 117.46 113.98 2k92 n PHE 50 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 2k92 n PHE 50 Cb 0.44 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.98 2k92 n PHE 50 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2k92 n ASP 51 N -0.39 0.00 -2.95 4.37 2.03 -0.19 -4.99 116.55 114.43 2k92 n ASP 51 Ca 0.00 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.32 2k92 n ASP 51 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2k92 n ASP 51 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2k92 s THR 52 N 0.00 -0.61 -0.78 5.18 -1.32 -1.26 -5.04 115.64 111.81 2k92 s THR 52 Ca 0.00 -0.08 -0.27 0.00 -1.21 0.00 0.00 61.69 60.13 2k92 s THR 52 Cb 0.00 0.00 -0.24 0.00 -1.51 0.00 0.00 72.50 70.75 2k92 s THR 52 CO 0.00 0.00 1.92 -1.84 -2.21 0.00 0.00 174.62 172.49 2k92 n GLU 53 N 3.88 0.55 -1.56 7.08 -0.00 -1.26 -4.38 120.64 124.96 2k92 n GLU 53 Ca 0.09 -1.69 -0.45 0.00 -0.00 0.00 0.00 57.16 55.11 2k92 n GLU 53 Cb 0.60 -3.40 -0.04 0.00 -0.00 0.00 0.00 31.44 28.60 2k92 n GLU 53 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.13 178.64 2k92 n ILE 54 N 7.91 0.29 -2.53 3.84 0.13 -1.26 -4.92 119.36 122.82 2k92 n ILE 54 Ca 0.44 -0.42 -0.37 0.00 -1.10 0.00 0.00 62.75 61.30 2k92 n ILE 54 Cb 0.45 -2.34 -0.04 0.00 -0.84 0.00 0.00 39.64 36.87 2k92 n ILE 54 CO 0.00 0.00 0.00 -2.16 2.80 0.00 0.00 176.55 177.19 2k92 s PRO 55 N 6.41 4.26 0.21 9.51 0.04 -1.26 -4.74 135.00 149.42 2k92 s PRO 55 Ca 1.03 1.57 -0.10 0.00 0.04 0.00 0.00 61.00 63.55 2k92 s PRO 55 Cb -0.46 -2.68 0.27 0.00 0.04 0.00 0.00 34.50 31.66 2k92 s PRO 55 CO 0.38 -0.07 1.74 0.38 0.04 0.00 0.00 177.00 179.48 2k92 h ASP 56 N 2.78 0.20 -1.04 6.66 3.04 -1.95 1.14 116.42 127.26 2k92 h ASP 56 Ca -0.48 0.08 0.28 0.00 -3.24 0.00 0.00 57.03 53.67 2k92 h ASP 56 Cb 1.21 0.06 -0.07 0.00 -1.04 0.00 0.00 39.33 39.50 2k92 h ASP 56 CO 0.63 0.13 0.70 -0.33 -2.04 0.00 0.00 179.24 178.33 2k92 h GLU 57 N 0.39 0.23 0.00 4.15 4.39 -1.99 1.94 114.58 123.68 2k92 h GLU 57 Ca 0.30 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.99 2k92 h GLU 57 Cb 0.37 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 2k92 h GLU 57 CO -0.31 0.15 -1.56 -1.91 -1.16 0.00 0.00 179.01 174.22 2k92 n GLU 58 N -4.44 0.53 -0.06 2.33 2.13 0.67 -4.32 120.64 117.47 2k92 n GLU 58 Ca 0.24 -0.09 -0.05 0.00 0.66 0.00 0.00 57.16 57.92 2k92 n GLU 58 Cb 0.96 -1.59 -0.04 0.00 0.27 0.00 0.00 31.44 31.05 2k92 n GLU 58 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k92 h ALA 59 N 2.18 0.02 -1.35 4.31 0.00 0.72 -3.31 119.26 121.84 2k92 h ALA 59 Ca 0.00 -0.29 0.39 0.00 0.00 0.00 0.00 54.91 55.01 2k92 h ALA 59 Cb 0.91 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 2k92 h ALA 59 CO 0.00 0.16 1.26 -1.91 0.00 0.00 0.00 179.25 178.76 2k92 n GLU 60 N -4.69 0.01 -0.80 0.00 2.13 0.60 0.17 120.64 118.05 2k92 n GLU 60 Ca -0.06 1.01 -0.12 0.00 0.66 0.00 0.00 57.16 58.65 2k92 n GLU 60 Cb 0.19 -2.44 0.02 0.00 0.27 0.00 0.00 31.44 29.48 2k92 n GLU 60 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 2k92 n LYS 61 N -3.43 1.59 0.05 5.31 -0.00 -1.25 -3.81 118.16 116.62 2k92 n LYS 61 Ca 0.30 -1.14 0.00 0.00 -0.00 0.00 0.00 58.31 57.48 2k92 n LYS 61 Cb 1.66 -1.46 0.00 0.00 -0.00 0.00 0.00 35.03 35.24 2k92 n LYS 61 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 2k92 n ILE 62 N 0.71 0.51 -1.19 0.58 -5.35 0.44 -4.98 119.36 110.08 2k92 n ILE 62 Ca 0.22 0.17 -0.09 0.00 -0.27 0.00 0.00 62.75 62.78 2k92 n ILE 62 Cb 0.56 -1.25 -0.04 0.00 -1.74 0.00 0.00 39.64 37.17 2k92 n ILE 62 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2k92 n THR 63 N -3.23 0.00 -3.83 7.28 -2.24 -1.25 -4.77 114.28 106.23 2k92 n THR 63 Ca 0.00 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 2k92 n THR 63 Cb 0.15 -0.91 0.00 0.00 -2.10 0.00 0.00 70.33 67.47 2k92 n THR 63 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2k92 s THR 64 N -1.69 0.00 -0.15 4.28 -4.23 -1.26 -4.27 115.64 108.31 2k92 s THR 64 Ca 0.00 -1.01 -0.19 0.00 -1.18 0.00 0.00 61.69 59.31 2k92 s THR 64 Cb 0.00 -2.48 -0.24 0.00 1.34 0.00 0.00 72.50 71.12 2k92 s THR 64 CO 0.00 0.00 0.43 0.58 -0.54 0.00 0.00 174.62 175.09 2k92 h VAL 65 N 2.00 1.05 -0.55 2.29 2.07 -1.62 -3.38 116.25 118.12 2k92 h VAL 65 Ca -0.26 -2.30 0.10 0.00 0.82 0.00 0.00 66.70 65.06 2k92 h VAL 65 Cb 1.25 2.59 -0.11 0.00 -1.52 0.00 0.00 31.29 33.50 2k92 h VAL 65 CO 0.33 0.55 -0.28 -0.61 0.02 0.00 0.00 177.57 177.58 2k92 h GLN 66 N -0.65 -0.13 -1.69 1.57 4.15 -1.70 0.93 115.11 117.59 2k92 h GLN 66 Ca -0.29 0.01 0.49 0.00 0.77 0.00 0.00 58.65 59.63 2k92 h GLN 66 Cb 1.49 0.03 -0.07 0.00 0.21 0.00 0.00 27.48 29.15 2k92 h GLN 66 CO -0.06 -0.09 1.22 0.00 -1.93 0.00 0.00 178.83 177.97 2k92 h ALA 67 N 1.12 3.61 0.09 3.38 0.00 -1.86 2.19 119.26 127.79 2k92 h ALA 67 Ca 0.24 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.91 2k92 h ALA 67 Cb 0.52 0.13 0.02 0.00 0.00 0.00 0.00 17.79 18.46 2k92 h ALA 67 CO -0.63 -2.09 -0.75 0.00 0.00 0.00 0.00 179.25 175.78 2k92 h ALA 68 N 1.15 -0.03 0.10 0.00 0.00 0.70 -1.91 119.26 119.27 2k92 h ALA 68 Ca 0.80 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2k92 h ALA 68 Cb 3.23 0.08 0.00 0.00 0.00 0.00 0.00 17.79 21.10 2k92 h ALA 68 CO -0.01 0.37 -0.05 0.82 0.00 0.00 0.00 179.25 180.39 2k92 h ILE 69 N -0.26 1.10 0.00 0.00 2.04 0.36 0.13 117.51 120.88 2k92 h ILE 69 Ca -0.12 -0.86 -0.00 0.00 1.00 0.00 0.00 64.86 64.88 2k92 h ILE 69 Cb 1.53 1.64 -0.00 0.00 -0.74 0.00 0.00 36.82 39.25 2k92 h ILE 69 CO 0.14 0.21 -0.00 0.44 0.00 0.00 0.00 178.15 178.94 2k92 h ASP 70 N -0.55 0.00 0.04 1.72 5.19 0.19 -0.87 116.42 122.15 2k92 h ASP 70 Ca -0.01 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.30 2k92 h ASP 70 Cb 0.44 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.95 2k92 h ASP 70 CO 0.02 0.00 -0.48 0.22 -3.12 0.00 0.00 179.24 175.89 2k92 h TYR 71 N 0.00 0.15 0.00 4.55 3.20 -0.93 -1.01 116.97 122.93 2k92 h TYR 71 Ca -0.00 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 61.75 2k92 h TYR 71 Cb 0.07 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.33 2k92 h TYR 71 CO 0.00 1.18 -0.04 0.82 -1.64 0.00 0.00 178.16 178.48 2k92 h ILE 72 N -0.81 0.41 0.03 1.81 1.08 -0.08 -0.51 117.51 119.44 2k92 h ILE 72 Ca -0.11 -0.22 -0.30 0.00 -0.39 0.00 0.00 64.86 63.84 2k92 h ILE 72 Cb 1.25 1.15 -0.04 0.00 -3.07 0.00 0.00 36.82 36.11 2k92 h ILE 72 CO 0.01 0.04 -1.66 0.78 -0.69 0.00 0.00 178.15 176.63 2k92 h ASN 73 N 0.00 0.10 -0.24 1.72 2.35 -1.25 -3.27 115.58 114.99 2k92 h ASN 73 Ca -0.00 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 2k92 h ASN 73 Cb 0.15 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.49 2k92 h ASN 73 CO 0.01 1.17 0.00 0.61 -1.65 0.00 0.00 177.43 177.57 2k92 n GLY 74 N 1.61 1.36 0.65 2.83 0.00 -0.33 -3.98 105.19 107.32 2k92 n GLY 74 Ca -0.17 -0.33 -0.07 0.00 0.00 0.00 0.00 46.02 45.45 2k92 n GLY 74 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2k92 n HIS 75 N 0.27 0.00 -4.23 1.61 -0.00 -0.43 -4.99 115.22 107.44 2k92 n HIS 75 Ca 0.10 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.48 2k92 n HIS 75 Cb 0.46 -0.28 -0.14 0.00 -0.00 0.00 0.00 29.99 30.03 2k92 n HIS 75 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 2k92 s GLN 76 N -2.32 3.35 0.00 1.57 -0.21 -1.23 -5.12 119.66 115.69 2k92 s GLN 76 Ca -0.13 -0.66 0.00 0.00 0.02 0.00 0.00 55.36 54.58 2k92 s GLN 76 Cb 0.03 -2.84 0.00 0.00 1.00 0.00 0.00 33.01 31.21 2k92 s GLN 76 CO 0.19 -0.05 0.00 0.00 -2.12 0.00 0.00 175.29 173.31